Items where authors include "Gardiner, E.J."

Article

Gan, S., Cosgrove, D.A., Gardiner, E.J. et al. (1 more author) (2014) Investigation of the Use of Spectral Clustering for the Analysis of Molecular Data. Journal of Chemical Information and Modeling, 54 (12). 3302 - 3319. ISSN 1549-9596

Taylor, R., Cole, J.C., Cosgrove, D.A. et al. (3 more authors) (2012) Development and validation of an improved algorithm for overlaying flexible molecules. Journal of Computer-Aided Molecular Design, 26 (4). 451 - 472.

Gardiner, E.J., Holliday, J.D., O'Dowd, C. et al. (1 more author) (2011) Effectiveness of 2D fingerprints for scaffold hopping. Future Medicinal Chemistry, 3 (4). 405 - 414. ISSN 1756-8919

Gardiner, E.J., Hunter, C.A. and Willett, P. (2009) Structural fingerprints of transcription factor binding site regions. Algorithms for Molecular Sciences, 2 (1). pp. 448-469. ISSN 1999-4893

Gardiner, E.J., Gillet, V.J., Haranczyk, M. et al. (5 more authors) (2009) Turbo similarity searching: effect of fingerprint and dataset on virtual-screening performance. Statistical Analysis and Data Mining, 2 (2). 103 - 114. ISSN 1932-1864

Gardiner, E.J., Willett, P. and Artymiuk, P.J. (2003) GAPDOCK: A genetic algorithm approach to protein docking in CAPRI round 1. Proteins: Structure, Function, and Genetics, 52 (1). pp. 10-14.

Raymond, J.W., Gardiner, E.J. and Willett, P. (2002) RASCAL: calculation of graph similarity using maximum common edge subgraphs. The Computer Journal, 45 (6). pp. 631-644. ISSN 1460-2067

Gardiner, E.J., Holliday, J.D., Willett, P. et al. (2 more authors) (2000) Selection of reagents for combinatorial synthesis using clique detection. Quantitative Structure-Activity Relationships, 17 (3). pp. 232-236. ISSN 1611-020X